SCHEMBL9058908

SCHEMBL9058908

CCCCCCCCCOc1ccc2cccc(N3CCN(C)CC3)c2c1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.81
HTR1D P28221 10/20 0.81
HTR1B P28222 10/20 0.81
DRD2 P14416 6/20 0.53
KCNH2 Q12809 5/20 0.53
HTR2A P28223 5/20 0.53
SLC6A9 P48067 1/20 0.52
DRD3 P35462 2/20 0.51
ADRA1A P35348 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9058789 0.89 HTR1A (0.80) HTR1AHTR1DHTR1BDRD2KCNH2
SCHEMBL9062634 0.88 HTR1A (0.81) HTR1AHTR1DHTR1BDRD2KCNH2
SCHEMBL9054738 0.88 HTR1A (0.81) HTR1AHTR1DHTR1BDRD2KCNH2
SCHEMBL9058567 0.86 HTR1A (0.74) HTR1AHTR1DHTR1BDRD2KCNH2
SCHEMBL9057945 0.84 HTR1A (0.74) HTR1AHTR1DHTR1BDRD2KCNH2
SCHEMBL9057938 0.83 HTR1A (0.66) HTR1AHTR1DHTR1BDRD2KCNH2
SCHEMBL9058518 0.83 HTR1A (0.66) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL9058797 0.82 HTR1A (0.67) HTR1AHTR1DHTR1BDRD2KCNH2
SCHEMBL8187450 0.80 HTR1A (0.71) HTR1AHTR1DHTR1BDRD2KCNH2
SCHEMBL9059019 0.80 HTR1A (0.64) HTR1AHTR1DHTR1BDRD2HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996012713-A1 NOVEL NAPHTHYLPIPERAZINE-DERIVED AROMATIC ETHERS FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-05-02 WO claimed
WO-1996012713-A1 NOVEL NAPHTHYLPIPERAZINE-DERIVED AROMATIC ETHERS FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-05-02 WO disclosed